...To improve the approximation, when creating the molecular wave function, in addition to the φ 1 +φ 2 state (covalent bond state), we can take into account the state where both electrons belong to hydrogen atom A: χ A (1)χ A (2), or the state where both electrons belong to B: χ B (1)χ B (2), that is, ionic states in which the electrons are biased to one side. Mixing covalent and ionic structures in this way is called resonance between structures. On the other hand, the state represented by ψ T is unstable because it is always a positive value and W T does not have a minimum value. ... *Some of the terminology explanations that mention "resonance (chemistry)" are listed below. Source | Heibonsha World Encyclopedia 2nd Edition | Information |
…そこでさらに近似を高めるためには,分子の波動関数をつくる際にφ1+φ2の状態(共有結合状態)のほかに,二つの電子がともに水素原子Aに属する状態:χA(1)χA(2),あるいはBに属する状態:χB(1)χB(2),すなわち電子が一方に偏っているイオン状態を多少考慮してやればよい。このように共有,イオンなどの構造を混ぜ合わせることを構造間の共鳴という。一方,はつねに正の値で,WTは極小値をもたず,ψTで表される状態は不安定である。… ※「共鳴(化学)」について言及している用語解説の一部を掲載しています。 出典|株式会社平凡社世界大百科事典 第2版について | 情報 |
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